11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine

C113H121N7 — CID 157168265

About 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine

11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine (PubChem CID 157168265) has the molecular formula C113H121N7 and a molecular weight of 1577.26 g/mol. Its IUPAC name is 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine.

Molecular Properties

• Compound Name: 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine
• PubChem CID: 157168265
• Molecular Formula: C113H121N7
• Molecular Weight: 1577.26 g/mol
• Exact Mass: 1575.97
• IUPAC Name: 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine
• SMILES: CC(C)(C)Cc1cc2c3c(ccnc3c1)-c1ccccc1C2(C)C.CC(C)Cc1cc2c3c(ccnc3c1)-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccnc3cc(C4CCCC4)cc1c23.Cc1ccc2c(c1)-c1ncnc3cc(CC(C)(C)C)cc(c13)C2(C)C.Cc1ccc2c(c1)-c1ncnc3cc(CC(C)C)cc(c13)C2(C)C
• InChI: InChI=1S/C23H26N2.C23H23N.C23H25N.C22H24N2.C22H23N/c1-14-7-8-17-16(9-14)21-20-18(23(17,5)6)10-15(12-22(2,3)4)11-19(20)24-13-25-21;1-23(2)19-10-6-5-9-17(19)18-11-12-24-21-14-16(13-20(23)22(18)21)15-7-3-4-8-15;1-22(2,3)14-15-12-19-21-17(10-11-24-20(21)13-15)16-8-6-7-9-18(16)23(19,4)5;1-13(2)8-15-10-18-20-19(11-15)23-12-24-21(20)16-9-14(3)6-7-17(16)22(18,4)5;1-14(2)11-15-12-19-21-17(9-10-23-20(21)13-15)16-7-5-6-8-18(16)22(19,3)4/h7-11,13H,12H2,1-6H3;5-6,9-15H,3-4,7-8H2,1-2H3;6-13H,14H2,1-5H3;6-7,9-13H,8H2,1-5H3;5-10,12-14H,11H2,1-4H3
• InChIKey: ANDZQXGVNNSQOI-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1577.26
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine?

The IUPAC name of 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine (CID 157168265) is 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine.

What is the SMILES notation for 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine?

The canonical SMILES for 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine is CC(C)(C)Cc1cc2c3c(ccnc3c1)-c1ccccc1C2(C)C.CC(C)Cc1cc2c3c(ccnc3c1)-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccnc3cc(C4CCCC4)cc1c23.Cc1ccc2c(c1)-c1ncnc3cc(CC(C)(C)C)cc(c13)C2(C)C.Cc1ccc2c(c1)-c1ncnc3cc(CC(C)C)cc(c13)C2(C)C.

What is the InChIKey of 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine?

The InChIKey is ANDZQXGVNNSQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2.C23H23N.C23H25N.C22H24N2.C22H23N/c1-14-7-8-17-16(9-14)21-20-18(23(17,5)6)10-15(12-22(2,3)4)11-19(20)24-13-25-21;1-23(2)19-10-6-5-9-17(19)18-11-12-24-21-14-16(13-20(23)22(18)21)15-7-3-4-8-15;1-22(2,3)14-15-12-19-21-17(10-11-24-20(21)13-15)16-8-6-7-9-18(16)23(19,4)5;1-13(2)8-15-10-18-20-19(11-15)23-12-24-21(20)16-9-14(3)6-7-17(16)22(18,4)5;1-14(2)11-15-12-19-21-17(9-10-23-20(21)13-15)16-7-5-6-8-18(16)22(19,3)4/h7-11,13H,12H2,1-6H3;5-6,9-15H,3-4,7-8H2,1-2H3;6-13H,14H2,1-5H3;6-7,9-13H,8H2,1-5H3;5-10,12-14H,11H2,1-4H3.

What are the key properties of 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine?

11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine has a molecular weight of 1577.26 g/mol, XLogP of 29.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-cyclopentyl-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;8,8-dimethyl-11-(2-methylpropyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;11-(2,2-dimethylpropyl)-8,8-dimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;5-(2,2-dimethylpropyl)-7,7,10-trimethylbenzo[e]perimidine;7,7,10-trimethyl-5-(2-methylpropyl)benzo[e]perimidine is sourced from PubChem (CID 157168265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).